(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide

C21H20N2O3S — CID 7747065

IUPAC(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)nc1-c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-13-8-7-11-17(12-13)26-15(3)20(25)23-21-22-18(19(27-21)14(2)24)16-9-5-4-6-10-16/h4-12,15H,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyHDARXGRBWSKTBQ-HNNXBMFYSA-N
MW380.47 g/mol
LogP4.73
Rot. Bonds6

About (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide

(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide (PubChem CID 7747065) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
PubChem CID7747065
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
SMILESCC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)nc1-c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-13-8-7-11-17(12-13)26-15(3)20(25)23-21-22-18(19(27-21)14(2)24)16-9-5-4-6-10-16/h4-12,15H,1-3H3,(H,22,23,25)/t15-/m0/s1
InChIKeyHDARXGRBWSKTBQ-HNNXBMFYSA-N
XLogP4.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 31288202
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134060555
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)benzamide
CID 8918344
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide (CID 7747065) is (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide is CC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)nc1-c1ccccc1.
What is the InChIKey of (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
The InChIKey is HDARXGRBWSKTBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-13-8-7-11-17(12-13)26-15(3)20(25)23-21-22-18(19(27-21)14(2)24)16-9-5-4-6-10-16/h4-12,15H,1-3H3,(H,22,23,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 7747065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).